6-[(3-cyanothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[(3-cyanothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
6-[(3-cyanothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-1159 |
| Compound Name: | 6-[(3-cyanothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 276.31 |
| Molecular Formula: | C13 H12 N2 O3 S |
| Smiles: | C1C=CCC(C1C(O)=O)C(Nc1c(C#N)ccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4983 |
| logD: | -0.8575 |
| logSw: | -2.403 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.781 |
| InChI Key: | VDUIGXYBIKLKOR-UHFFFAOYSA-N |